USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot 54:sc= 0.116 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0112 (180deg=-0.148) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc=-0.00408 (180deg=-0.109) USER MOD Single : A 14 THR OG1 : rot 160:sc= -0.0343 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0279) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -2.36! K(o=-2.4!,f=-0.83) USER MOD Single : A 22 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.832 K(o=0.83,f=-3.3!) USER MOD Single : A 31 GLN : amide:sc= -0.901 K(o=-0.9,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -125:sc= -0.062 (180deg=-3.56!) USER MOD Single : A 48 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.021) USER MOD Single : A 64 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.012) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.39) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.410 14.478 -23.272 1.00 0.00 N ATOM 2 CA MET A 1 3.786 13.470 -22.259 1.00 0.00 C ATOM 3 C MET A 1 2.938 13.648 -21.010 1.00 0.00 C ATOM 4 O MET A 1 2.634 14.775 -20.614 1.00 0.00 O ATOM 5 CB MET A 1 5.270 13.593 -21.897 1.00 0.00 C ATOM 6 CG MET A 1 6.214 13.341 -23.067 1.00 0.00 C ATOM 7 SD MET A 1 7.950 13.502 -22.604 1.00 0.00 S ATOM 8 CE MET A 1 8.757 13.164 -24.171 1.00 0.00 C ATOM 0 H1 MET A 1 3.868 14.248 -24.177 1.00 0.00 H new ATOM 0 H2 MET A 1 2.377 14.477 -23.396 1.00 0.00 H new ATOM 0 H3 MET A 1 3.720 15.419 -22.957 1.00 0.00 H new ATOM 0 HA MET A 1 3.610 12.479 -22.678 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.456 14.592 -21.501 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.499 12.886 -21.099 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.038 12.340 -23.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.989 14.044 -23.869 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.838 13.227 -24.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.489 12.163 -24.510 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.435 13.896 -24.911 1.00 0.00 H new ATOM 20 N GLU A 2 2.550 12.540 -20.393 1.00 0.00 N ATOM 21 CA GLU A 2 1.724 12.593 -19.198 1.00 0.00 C ATOM 22 C GLU A 2 2.163 11.538 -18.180 1.00 0.00 C ATOM 23 O GLU A 2 1.873 10.351 -18.337 1.00 0.00 O ATOM 24 CB GLU A 2 0.244 12.401 -19.566 1.00 0.00 C ATOM 25 CG GLU A 2 -0.698 12.476 -18.376 1.00 0.00 C ATOM 26 CD GLU A 2 -2.160 12.495 -18.778 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.762 11.413 -18.935 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.717 13.601 -18.939 1.00 0.00 O ATOM 0 H GLU A 2 2.793 11.598 -20.700 1.00 0.00 H new ATOM 0 HA GLU A 2 1.848 13.575 -18.741 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.042 13.162 -20.292 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.123 11.433 -20.053 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.518 11.622 -17.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.474 13.373 -17.798 1.00 0.00 H new ATOM 35 N LYS A 3 2.879 11.980 -17.151 1.00 0.00 N ATOM 36 CA LYS A 3 3.280 11.107 -16.054 1.00 0.00 C ATOM 37 C LYS A 3 2.271 11.255 -14.923 1.00 0.00 C ATOM 38 O LYS A 3 2.578 11.783 -13.852 1.00 0.00 O ATOM 39 CB LYS A 3 4.668 11.477 -15.539 1.00 0.00 C ATOM 40 CG LYS A 3 5.705 11.698 -16.628 1.00 0.00 C ATOM 41 CD LYS A 3 7.047 12.081 -16.023 1.00 0.00 C ATOM 42 CE LYS A 3 8.024 12.577 -17.076 1.00 0.00 C ATOM 43 NZ LYS A 3 9.313 13.014 -16.471 1.00 0.00 N ATOM 0 H LYS A 3 3.195 12.945 -17.054 1.00 0.00 H new ATOM 0 HA LYS A 3 3.311 10.078 -16.413 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.590 12.384 -14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.019 10.686 -14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.814 10.791 -17.223 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.368 12.484 -17.304 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.898 12.857 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.473 11.219 -15.510 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.212 11.784 -17.800 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.579 13.408 -17.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.953 13.346 -17.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.136 13.788 -15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.750 12.214 -15.971 1.00 0.00 H new ATOM 57 N LYS A 4 1.060 10.814 -15.183 1.00 0.00 N ATOM 58 CA LYS A 4 -0.056 11.090 -14.294 1.00 0.00 C ATOM 59 C LYS A 4 -0.857 9.819 -14.016 1.00 0.00 C ATOM 60 O LYS A 4 -2.090 9.829 -14.000 1.00 0.00 O ATOM 61 CB LYS A 4 -0.928 12.170 -14.936 1.00 0.00 C ATOM 62 CG LYS A 4 -1.902 12.845 -13.985 1.00 0.00 C ATOM 63 CD LYS A 4 -2.524 14.066 -14.635 1.00 0.00 C ATOM 64 CE LYS A 4 -3.621 14.667 -13.774 1.00 0.00 C ATOM 65 NZ LYS A 4 -4.821 13.794 -13.713 1.00 0.00 N ATOM 0 H LYS A 4 0.819 10.260 -16.005 1.00 0.00 H new ATOM 0 HA LYS A 4 0.313 11.447 -13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.280 12.930 -15.371 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.491 11.724 -15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.684 12.142 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.384 13.137 -13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.752 14.814 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.934 13.791 -15.607 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.241 14.832 -12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.902 15.642 -14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.608 14.315 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.089 13.505 -14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.608 12.950 -13.144 1.00 0.00 H new ATOM 79 N PHE A 5 -0.152 8.719 -13.789 1.00 0.00 N ATOM 80 CA PHE A 5 -0.809 7.459 -13.479 1.00 0.00 C ATOM 81 C PHE A 5 -0.354 6.921 -12.123 1.00 0.00 C ATOM 82 O PHE A 5 -1.179 6.589 -11.275 1.00 0.00 O ATOM 83 CB PHE A 5 -0.532 6.430 -14.580 1.00 0.00 C ATOM 84 CG PHE A 5 -1.262 5.128 -14.392 1.00 0.00 C ATOM 85 CD1 PHE A 5 -2.616 5.032 -14.666 1.00 0.00 C ATOM 86 CD2 PHE A 5 -0.594 3.999 -13.938 1.00 0.00 C ATOM 87 CE1 PHE A 5 -3.292 3.838 -14.494 1.00 0.00 C ATOM 88 CE2 PHE A 5 -1.265 2.802 -13.765 1.00 0.00 C ATOM 89 CZ PHE A 5 -2.615 2.721 -14.042 1.00 0.00 C ATOM 0 H PHE A 5 0.867 8.674 -13.814 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.883 7.641 -13.428 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.813 6.857 -15.543 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.539 6.233 -14.619 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.151 5.901 -15.019 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.462 4.056 -13.717 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.348 3.778 -14.713 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.733 1.931 -13.413 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.141 1.787 -13.906 1.00 0.00 H new ATOM 99 N LEU A 6 0.959 6.868 -11.912 1.00 0.00 N ATOM 100 CA LEU A 6 1.518 6.249 -10.709 1.00 0.00 C ATOM 101 C LEU A 6 1.249 7.091 -9.468 1.00 0.00 C ATOM 102 O LEU A 6 1.183 6.570 -8.355 1.00 0.00 O ATOM 103 CB LEU A 6 3.023 5.977 -10.883 1.00 0.00 C ATOM 104 CG LEU A 6 3.895 7.179 -11.268 1.00 0.00 C ATOM 105 CD1 LEU A 6 4.315 7.975 -10.039 1.00 0.00 C ATOM 106 CD2 LEU A 6 5.120 6.716 -12.044 1.00 0.00 C ATOM 0 H LEU A 6 1.655 7.244 -12.555 1.00 0.00 H new ATOM 0 HA LEU A 6 1.016 5.292 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.405 5.563 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.145 5.208 -11.646 1.00 0.00 H new ATOM 0 HG LEU A 6 3.301 7.835 -11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.932 8.820 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.428 8.342 -9.523 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.886 7.334 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.730 7.579 -12.311 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.706 6.035 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.803 6.202 -12.951 1.00 0.00 H new ATOM 118 N ASP A 7 1.076 8.388 -9.669 1.00 0.00 N ATOM 119 CA ASP A 7 0.764 9.297 -8.574 1.00 0.00 C ATOM 120 C ASP A 7 -0.710 9.190 -8.211 1.00 0.00 C ATOM 121 O ASP A 7 -1.125 9.480 -7.089 1.00 0.00 O ATOM 122 CB ASP A 7 1.102 10.736 -8.967 1.00 0.00 C ATOM 123 CG ASP A 7 0.779 11.730 -7.868 1.00 0.00 C ATOM 124 OD1 ASP A 7 1.581 11.855 -6.918 1.00 0.00 O ATOM 125 OD2 ASP A 7 -0.269 12.395 -7.953 1.00 0.00 O ATOM 0 H ASP A 7 1.146 8.837 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 7 1.364 9.020 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.162 10.803 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.549 11.003 -9.868 1.00 0.00 H new ATOM 130 N ILE A 8 -1.488 8.718 -9.171 1.00 0.00 N ATOM 131 CA ILE A 8 -2.932 8.659 -9.044 1.00 0.00 C ATOM 132 C ILE A 8 -3.365 7.261 -8.592 1.00 0.00 C ATOM 133 O ILE A 8 -4.553 6.941 -8.542 1.00 0.00 O ATOM 134 CB ILE A 8 -3.590 9.033 -10.393 1.00 0.00 C ATOM 135 CG1 ILE A 8 -2.981 10.333 -10.929 1.00 0.00 C ATOM 136 CG2 ILE A 8 -5.096 9.185 -10.258 1.00 0.00 C ATOM 137 CD1 ILE A 8 -3.176 11.529 -10.017 1.00 0.00 C ATOM 0 H ILE A 8 -1.135 8.365 -10.060 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.258 9.375 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.397 8.222 -11.095 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.914 10.182 -11.090 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.422 10.555 -11.901 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.523 9.448 -11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.527 8.245 -9.914 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.319 9.972 -9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.717 12.409 -10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.242 11.708 -9.875 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.710 11.330 -9.052 1.00 0.00 H new ATOM 149 N LEU A 9 -2.387 6.426 -8.261 1.00 0.00 N ATOM 150 CA LEU A 9 -2.671 5.101 -7.732 1.00 0.00 C ATOM 151 C LEU A 9 -3.184 5.216 -6.305 1.00 0.00 C ATOM 152 O LEU A 9 -2.445 5.577 -5.385 1.00 0.00 O ATOM 153 CB LEU A 9 -1.427 4.214 -7.759 1.00 0.00 C ATOM 154 CG LEU A 9 -0.817 3.969 -9.141 1.00 0.00 C ATOM 155 CD1 LEU A 9 0.427 3.102 -9.027 1.00 0.00 C ATOM 156 CD2 LEU A 9 -1.837 3.317 -10.063 1.00 0.00 C ATOM 0 H LEU A 9 -1.394 6.643 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.432 4.641 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.667 4.666 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.681 3.250 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.530 4.930 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.848 2.938 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.163 3.603 -8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.163 2.143 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.388 3.149 -11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.152 2.363 -9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.703 3.971 -10.168 1.00 0.00 H new ATOM 168 N VAL A 10 -4.452 4.916 -6.135 1.00 0.00 N ATOM 169 CA VAL A 10 -5.111 5.083 -4.854 1.00 0.00 C ATOM 170 C VAL A 10 -5.722 3.776 -4.375 1.00 0.00 C ATOM 171 O VAL A 10 -6.058 2.906 -5.176 1.00 0.00 O ATOM 172 CB VAL A 10 -6.214 6.164 -4.916 1.00 0.00 C ATOM 173 CG1 VAL A 10 -5.620 7.534 -5.198 1.00 0.00 C ATOM 174 CG2 VAL A 10 -7.256 5.819 -5.969 1.00 0.00 C ATOM 0 H VAL A 10 -5.054 4.552 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.344 5.403 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.702 6.193 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.418 8.276 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.918 7.796 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.097 7.514 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.021 6.595 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.777 5.752 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.718 4.862 -5.724 1.00 0.00 H new ATOM 184 N CYS A 11 -5.841 3.649 -3.062 1.00 0.00 N ATOM 185 CA CYS A 11 -6.476 2.491 -2.451 1.00 0.00 C ATOM 186 C CYS A 11 -7.979 2.513 -2.726 1.00 0.00 C ATOM 187 O CYS A 11 -8.588 3.581 -2.770 1.00 0.00 O ATOM 188 CB CYS A 11 -6.232 2.497 -0.936 1.00 0.00 C ATOM 189 SG CYS A 11 -4.527 2.855 -0.446 1.00 0.00 S ATOM 0 H CYS A 11 -5.502 4.341 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.045 1.587 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.890 3.236 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.515 1.525 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.140 3.965 -1.001 1.00 0.00 H new ATOM 195 N PRO A 12 -8.603 1.346 -2.923 1.00 0.00 N ATOM 196 CA PRO A 12 -10.041 1.264 -3.172 1.00 0.00 C ATOM 197 C PRO A 12 -10.856 1.823 -2.007 1.00 0.00 C ATOM 198 O PRO A 12 -11.799 2.585 -2.208 1.00 0.00 O ATOM 199 CB PRO A 12 -10.306 -0.236 -3.347 1.00 0.00 C ATOM 200 CG PRO A 12 -9.115 -0.921 -2.766 1.00 0.00 C ATOM 201 CD PRO A 12 -7.961 0.024 -2.946 1.00 0.00 C ATOM 0 HA PRO A 12 -10.335 1.854 -4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.220 -0.536 -2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.432 -0.492 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.272 -1.148 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.925 -1.868 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.226 -0.081 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.438 -0.153 -3.886 1.00 0.00 H new ATOM 209 N VAL A 13 -10.466 1.464 -0.789 1.00 0.00 N ATOM 210 CA VAL A 13 -11.194 1.878 0.405 1.00 0.00 C ATOM 211 C VAL A 13 -10.638 3.187 0.970 1.00 0.00 C ATOM 212 O VAL A 13 -11.388 4.066 1.391 1.00 0.00 O ATOM 213 CB VAL A 13 -11.136 0.786 1.500 1.00 0.00 C ATOM 214 CG1 VAL A 13 -11.963 1.185 2.716 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.610 -0.549 0.944 1.00 0.00 C ATOM 0 H VAL A 13 -9.647 0.885 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.231 2.033 0.108 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.099 0.681 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.904 0.400 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.575 2.115 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.002 1.326 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.563 -1.306 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.638 -0.453 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.969 -0.845 0.113 1.00 0.00 H new ATOM 225 N THR A 14 -9.320 3.312 0.960 1.00 0.00 N ATOM 226 CA THR A 14 -8.654 4.445 1.591 1.00 0.00 C ATOM 227 C THR A 14 -8.550 5.653 0.657 1.00 0.00 C ATOM 228 O THR A 14 -8.373 6.781 1.119 1.00 0.00 O ATOM 229 CB THR A 14 -7.248 4.035 2.046 1.00 0.00 C ATOM 230 OG1 THR A 14 -7.298 2.716 2.600 1.00 0.00 O ATOM 231 CG2 THR A 14 -6.700 4.999 3.084 1.00 0.00 C ATOM 0 H THR A 14 -8.688 2.642 0.521 1.00 0.00 H new ATOM 0 HA THR A 14 -9.260 4.738 2.448 1.00 0.00 H new ATOM 0 HB THR A 14 -6.587 4.057 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.399 2.325 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.702 4.680 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.648 6.001 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.356 5.008 3.954 1.00 0.00 H new ATOM 239 N LYS A 15 -8.681 5.402 -0.652 1.00 0.00 N ATOM 240 CA LYS A 15 -8.492 6.418 -1.703 1.00 0.00 C ATOM 241 C LYS A 15 -7.252 7.282 -1.458 1.00 0.00 C ATOM 242 O LYS A 15 -7.231 8.471 -1.784 1.00 0.00 O ATOM 243 CB LYS A 15 -9.749 7.293 -1.947 1.00 0.00 C ATOM 244 CG LYS A 15 -10.480 7.800 -0.710 1.00 0.00 C ATOM 245 CD LYS A 15 -11.530 6.805 -0.234 1.00 0.00 C ATOM 246 CE LYS A 15 -12.373 7.364 0.900 1.00 0.00 C ATOM 247 NZ LYS A 15 -11.564 7.673 2.109 1.00 0.00 N ATOM 0 H LYS A 15 -8.923 4.481 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.327 5.854 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.453 8.155 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.454 6.717 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.761 7.982 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.957 8.754 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.178 6.535 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.039 5.890 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.877 8.270 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.150 6.645 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.192 7.987 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.050 6.821 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.884 8.428 1.888 1.00 0.00 H new ATOM 261 N GLY A 16 -6.213 6.658 -0.910 1.00 0.00 N ATOM 262 CA GLY A 16 -4.942 7.327 -0.713 1.00 0.00 C ATOM 263 C GLY A 16 -3.845 6.665 -1.519 1.00 0.00 C ATOM 264 O GLY A 16 -4.059 5.591 -2.081 1.00 0.00 O ATOM 0 H GLY A 16 -6.232 5.688 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.030 8.374 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.680 7.311 0.345 1.00 0.00 H new ATOM 268 N ARG A 17 -2.675 7.292 -1.573 1.00 0.00 N ATOM 269 CA ARG A 17 -1.577 6.827 -2.364 1.00 0.00 C ATOM 270 C ARG A 17 -1.078 5.453 -1.916 1.00 0.00 C ATOM 271 O ARG A 17 -1.074 5.126 -0.728 1.00 0.00 O ATOM 272 CB ARG A 17 -0.471 7.863 -2.264 1.00 0.00 C ATOM 273 CG ARG A 17 0.770 7.459 -2.982 1.00 0.00 C ATOM 274 CD ARG A 17 1.857 8.519 -2.905 1.00 0.00 C ATOM 275 NE ARG A 17 1.575 9.676 -3.755 1.00 0.00 N ATOM 276 CZ ARG A 17 1.767 10.941 -3.382 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.164 11.225 -2.148 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.573 11.923 -4.251 1.00 0.00 N ATOM 0 H ARG A 17 -2.475 8.148 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.903 6.704 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.828 8.809 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.237 8.036 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.145 6.527 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.533 7.261 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.965 8.849 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.810 8.079 -3.200 1.00 0.00 H new ATOM 0 HE ARG A 17 1.209 9.504 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.324 10.473 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.309 12.195 -1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.277 11.710 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.720 12.892 -3.967 1.00 0.00 H new ATOM 292 N LEU A 18 -0.659 4.667 -2.890 1.00 0.00 N ATOM 293 CA LEU A 18 -0.149 3.322 -2.657 1.00 0.00 C ATOM 294 C LEU A 18 1.370 3.339 -2.558 1.00 0.00 C ATOM 295 O LEU A 18 2.060 3.727 -3.504 1.00 0.00 O ATOM 296 CB LEU A 18 -0.589 2.403 -3.800 1.00 0.00 C ATOM 297 CG LEU A 18 -2.103 2.229 -3.948 1.00 0.00 C ATOM 298 CD1 LEU A 18 -2.444 1.663 -5.315 1.00 0.00 C ATOM 299 CD2 LEU A 18 -2.640 1.329 -2.847 1.00 0.00 C ATOM 0 H LEU A 18 -0.662 4.942 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.552 2.948 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.191 2.796 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.139 1.422 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.575 3.207 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.524 1.546 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.089 2.343 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.963 0.692 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.718 1.214 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.162 0.352 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.426 1.775 -1.876 1.00 0.00 H new ATOM 311 N GLU A 19 1.885 2.936 -1.408 1.00 0.00 N ATOM 312 CA GLU A 19 3.320 2.871 -1.203 1.00 0.00 C ATOM 313 C GLU A 19 3.823 1.467 -1.522 1.00 0.00 C ATOM 314 O GLU A 19 3.138 0.476 -1.265 1.00 0.00 O ATOM 315 CB GLU A 19 3.674 3.275 0.230 1.00 0.00 C ATOM 316 CG GLU A 19 3.216 4.683 0.575 1.00 0.00 C ATOM 317 CD GLU A 19 3.667 5.133 1.947 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.863 5.457 2.104 1.00 0.00 O ATOM 319 OE2 GLU A 19 2.829 5.179 2.872 1.00 0.00 O ATOM 0 H GLU A 19 1.329 2.649 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 19 3.811 3.574 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.219 2.569 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.753 3.205 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.599 5.377 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.128 4.728 0.524 1.00 0.00 H new ATOM 326 N TYR A 20 5.011 1.384 -2.099 1.00 0.00 N ATOM 327 CA TYR A 20 5.538 0.110 -2.564 1.00 0.00 C ATOM 328 C TYR A 20 6.260 -0.653 -1.464 1.00 0.00 C ATOM 329 O TYR A 20 7.233 -0.166 -0.881 1.00 0.00 O ATOM 330 CB TYR A 20 6.485 0.313 -3.748 1.00 0.00 C ATOM 331 CG TYR A 20 5.781 0.644 -5.046 1.00 0.00 C ATOM 332 CD1 TYR A 20 5.157 -0.352 -5.786 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.749 1.944 -5.537 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.519 -0.063 -6.975 1.00 0.00 C ATOM 335 CE2 TYR A 20 5.112 2.241 -6.728 1.00 0.00 C ATOM 336 CZ TYR A 20 4.501 1.233 -7.443 1.00 0.00 C ATOM 337 OH TYR A 20 3.866 1.518 -8.630 1.00 0.00 O ATOM 0 H TYR A 20 5.628 2.181 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 20 4.680 -0.484 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.183 1.116 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.076 -0.592 -3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.171 -1.370 -5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.229 2.735 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.036 -0.849 -7.536 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.093 3.256 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 20 3.942 2.476 -8.820 1.00 0.00 H new ATOM 347 N HIS A 21 5.766 -1.849 -1.179 1.00 0.00 N ATOM 348 CA HIS A 21 6.484 -2.794 -0.340 1.00 0.00 C ATOM 349 C HIS A 21 7.384 -3.640 -1.224 1.00 0.00 C ATOM 350 O HIS A 21 8.452 -4.077 -0.802 1.00 0.00 O ATOM 351 CB HIS A 21 5.500 -3.675 0.444 1.00 0.00 C ATOM 352 CG HIS A 21 6.110 -4.885 1.102 1.00 0.00 C ATOM 353 ND1 HIS A 21 6.839 -4.838 2.268 1.00 0.00 N ATOM 354 CD2 HIS A 21 6.071 -6.190 0.744 1.00 0.00 C ATOM 355 CE1 HIS A 21 7.213 -6.061 2.599 1.00 0.00 C ATOM 356 NE2 HIS A 21 6.760 -6.901 1.692 1.00 0.00 N ATOM 0 H HIS A 21 4.866 -2.188 -1.519 1.00 0.00 H new ATOM 0 HA HIS A 21 7.092 -2.256 0.387 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.023 -3.065 1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.714 -4.007 -0.234 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.585 -6.597 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.794 -6.328 3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.899 -7.912 1.694 1.00 0.00 H new ATOM 365 N GLN A 22 6.932 -3.851 -2.464 1.00 0.00 N ATOM 366 CA GLN A 22 7.688 -4.613 -3.455 1.00 0.00 C ATOM 367 C GLN A 22 7.963 -6.022 -2.935 1.00 0.00 C ATOM 368 O GLN A 22 7.281 -6.482 -2.016 1.00 0.00 O ATOM 369 CB GLN A 22 9.000 -3.889 -3.790 1.00 0.00 C ATOM 370 CG GLN A 22 9.414 -4.014 -5.248 1.00 0.00 C ATOM 371 CD GLN A 22 8.435 -3.332 -6.188 1.00 0.00 C ATOM 372 OE1 GLN A 22 7.799 -2.344 -5.826 1.00 0.00 O ATOM 373 NE2 GLN A 22 8.292 -3.863 -7.392 1.00 0.00 N ATOM 0 H GLN A 22 6.037 -3.500 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 22 7.098 -4.693 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.895 -2.833 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.795 -4.288 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.404 -3.578 -5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.492 -5.069 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.838 -4.683 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.636 -3.452 -8.056 1.00 0.00 H new ATOM 382 N ASP A 23 8.913 -6.716 -3.567 1.00 0.00 N ATOM 383 CA ASP A 23 9.392 -8.027 -3.111 1.00 0.00 C ATOM 384 C ASP A 23 8.364 -9.126 -3.372 1.00 0.00 C ATOM 385 O ASP A 23 8.629 -10.080 -4.102 1.00 0.00 O ATOM 386 CB ASP A 23 9.757 -7.980 -1.623 1.00 0.00 C ATOM 387 CG ASP A 23 10.367 -9.273 -1.128 1.00 0.00 C ATOM 388 OD1 ASP A 23 11.583 -9.469 -1.315 1.00 0.00 O ATOM 389 OD2 ASP A 23 9.640 -10.093 -0.535 1.00 0.00 O ATOM 0 H ASP A 23 9.375 -6.384 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 23 10.286 -8.267 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.458 -7.164 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.862 -7.759 -1.041 1.00 0.00 H new ATOM 394 N LYS A 24 7.197 -8.979 -2.771 1.00 0.00 N ATOM 395 CA LYS A 24 6.105 -9.920 -2.949 1.00 0.00 C ATOM 396 C LYS A 24 4.971 -9.262 -3.719 1.00 0.00 C ATOM 397 O LYS A 24 3.822 -9.693 -3.635 1.00 0.00 O ATOM 398 CB LYS A 24 5.597 -10.401 -1.592 1.00 0.00 C ATOM 399 CG LYS A 24 6.654 -11.106 -0.762 1.00 0.00 C ATOM 400 CD LYS A 24 6.089 -11.591 0.561 1.00 0.00 C ATOM 401 CE LYS A 24 7.154 -12.257 1.417 1.00 0.00 C ATOM 402 NZ LYS A 24 6.596 -12.753 2.700 1.00 0.00 N ATOM 0 H LYS A 24 6.979 -8.203 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 24 6.471 -10.777 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.218 -9.546 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.757 -11.079 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.053 -11.953 -1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.486 -10.426 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.660 -10.749 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.279 -12.296 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.596 -13.088 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.955 -11.546 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.351 -13.201 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.197 -11.956 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.848 -13.450 2.507 1.00 0.00 H new ATOM 416 N GLN A 25 5.316 -8.220 -4.481 1.00 0.00 N ATOM 417 CA GLN A 25 4.339 -7.456 -5.251 1.00 0.00 C ATOM 418 C GLN A 25 3.253 -6.859 -4.352 1.00 0.00 C ATOM 419 O GLN A 25 2.092 -6.771 -4.743 1.00 0.00 O ATOM 420 CB GLN A 25 3.709 -8.355 -6.307 1.00 0.00 C ATOM 421 CG GLN A 25 4.694 -8.862 -7.346 1.00 0.00 C ATOM 422 CD GLN A 25 5.035 -7.826 -8.398 1.00 0.00 C ATOM 423 OE1 GLN A 25 4.350 -7.709 -9.417 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.107 -7.083 -8.169 1.00 0.00 N ATOM 0 H GLN A 25 6.275 -7.886 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 25 4.858 -6.628 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.244 -9.208 -5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.914 -7.806 -6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.610 -9.178 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.277 -9.743 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.645 -7.214 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.395 -6.380 -8.850 1.00 0.00 H new ATOM 433 N GLU A 26 3.639 -6.428 -3.160 1.00 0.00 N ATOM 434 CA GLU A 26 2.684 -5.874 -2.213 1.00 0.00 C ATOM 435 C GLU A 26 2.651 -4.350 -2.258 1.00 0.00 C ATOM 436 O GLU A 26 3.696 -3.692 -2.310 1.00 0.00 O ATOM 437 CB GLU A 26 3.025 -6.308 -0.790 1.00 0.00 C ATOM 438 CG GLU A 26 2.926 -7.800 -0.543 1.00 0.00 C ATOM 439 CD GLU A 26 3.218 -8.150 0.901 1.00 0.00 C ATOM 440 OE1 GLU A 26 2.350 -7.900 1.763 1.00 0.00 O ATOM 441 OE2 GLU A 26 4.322 -8.660 1.184 1.00 0.00 O ATOM 0 H GLU A 26 4.603 -6.451 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 26 1.704 -6.255 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.039 -5.981 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.358 -5.794 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.927 -8.147 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.627 -8.324 -1.193 1.00 0.00 H new ATOM 448 N LEU A 27 1.447 -3.802 -2.240 1.00 0.00 N ATOM 449 CA LEU A 27 1.252 -2.377 -2.023 1.00 0.00 C ATOM 450 C LEU A 27 0.845 -2.158 -0.576 1.00 0.00 C ATOM 451 O LEU A 27 -0.091 -2.790 -0.099 1.00 0.00 O ATOM 452 CB LEU A 27 0.173 -1.823 -2.953 1.00 0.00 C ATOM 453 CG LEU A 27 0.519 -1.837 -4.438 1.00 0.00 C ATOM 454 CD1 LEU A 27 -0.656 -1.324 -5.252 1.00 0.00 C ATOM 455 CD2 LEU A 27 1.759 -1.000 -4.699 1.00 0.00 C ATOM 0 H LEU A 27 0.583 -4.327 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 27 2.183 -1.853 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.741 -2.398 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.045 -0.797 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 27 0.729 -2.863 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.399 -1.338 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.523 -1.962 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.891 -0.304 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.994 -1.019 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.576 0.028 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.598 -1.407 -4.135 1.00 0.00 H new ATOM 467 N TRP A 28 1.530 -1.268 0.115 1.00 0.00 N ATOM 468 CA TRP A 28 1.318 -1.101 1.544 1.00 0.00 C ATOM 469 C TRP A 28 0.774 0.286 1.848 1.00 0.00 C ATOM 470 O TRP A 28 1.337 1.293 1.420 1.00 0.00 O ATOM 471 CB TRP A 28 2.620 -1.357 2.319 1.00 0.00 C ATOM 472 CG TRP A 28 2.847 -2.803 2.672 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.373 -3.899 2.004 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.609 -3.308 3.779 1.00 0.00 C ATOM 475 NE1 TRP A 28 2.780 -5.051 2.634 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.539 -4.716 3.726 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.337 -2.713 4.813 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.169 -5.531 4.666 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.962 -3.523 5.745 1.00 0.00 C ATOM 480 CH2 TRP A 28 4.877 -4.920 5.666 1.00 0.00 C ATOM 0 H TRP A 28 2.236 -0.650 -0.286 1.00 0.00 H new ATOM 0 HA TRP A 28 0.579 -1.834 1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.461 -1.002 1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.607 -0.767 3.236 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.767 -3.864 1.111 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.554 -6.000 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.411 -1.638 4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.101 -6.607 4.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.525 -3.071 6.548 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.379 -5.525 6.407 1.00 0.00 H new ATOM 491 N SER A 29 -0.335 0.322 2.568 1.00 0.00 N ATOM 492 CA SER A 29 -0.949 1.572 2.969 1.00 0.00 C ATOM 493 C SER A 29 -0.712 1.799 4.457 1.00 0.00 C ATOM 494 O SER A 29 -1.302 1.124 5.302 1.00 0.00 O ATOM 495 CB SER A 29 -2.451 1.547 2.659 1.00 0.00 C ATOM 496 OG SER A 29 -3.073 2.780 2.992 1.00 0.00 O ATOM 0 H SER A 29 -0.831 -0.510 2.888 1.00 0.00 H new ATOM 0 HA SER A 29 -0.499 2.392 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.601 1.337 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.925 0.738 3.215 1.00 0.00 H new ATOM 0 HG SER A 29 -4.029 2.732 2.781 1.00 0.00 H new ATOM 502 N ARG A 30 0.153 2.749 4.776 1.00 0.00 N ATOM 503 CA ARG A 30 0.544 2.991 6.157 1.00 0.00 C ATOM 504 C ARG A 30 -0.536 3.788 6.885 1.00 0.00 C ATOM 505 O ARG A 30 -0.550 3.869 8.111 1.00 0.00 O ATOM 506 CB ARG A 30 1.882 3.735 6.203 1.00 0.00 C ATOM 507 CG ARG A 30 2.554 3.702 7.566 1.00 0.00 C ATOM 508 CD ARG A 30 3.896 4.413 7.545 1.00 0.00 C ATOM 509 NE ARG A 30 4.627 4.248 8.803 1.00 0.00 N ATOM 510 CZ ARG A 30 5.516 5.128 9.268 1.00 0.00 C ATOM 511 NH1 ARG A 30 5.722 6.269 8.624 1.00 0.00 N ATOM 512 NH2 ARG A 30 6.180 4.878 10.394 1.00 0.00 N ATOM 0 H ARG A 30 0.598 3.366 4.097 1.00 0.00 H new ATOM 0 HA ARG A 30 0.661 2.032 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.555 3.299 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.720 4.773 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.904 4.172 8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.695 2.667 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.498 4.026 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.740 5.475 7.353 1.00 0.00 H new ATOM 0 HE ARG A 30 4.446 3.411 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.201 6.475 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.402 6.940 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.010 4.011 10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.859 5.553 10.746 1.00 0.00 H new ATOM 526 N GLN A 31 -1.442 4.377 6.115 1.00 0.00 N ATOM 527 CA GLN A 31 -2.530 5.151 6.674 1.00 0.00 C ATOM 528 C GLN A 31 -3.719 4.267 7.038 1.00 0.00 C ATOM 529 O GLN A 31 -4.464 4.575 7.966 1.00 0.00 O ATOM 530 CB GLN A 31 -2.954 6.228 5.683 1.00 0.00 C ATOM 531 CG GLN A 31 -2.073 7.468 5.715 1.00 0.00 C ATOM 532 CD GLN A 31 -2.124 8.179 7.056 1.00 0.00 C ATOM 533 OE1 GLN A 31 -2.955 9.062 7.274 1.00 0.00 O ATOM 534 NE2 GLN A 31 -1.229 7.807 7.959 1.00 0.00 N ATOM 0 H GLN A 31 -1.440 4.330 5.096 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.178 5.620 7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.941 5.809 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.983 6.519 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.044 7.185 5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.389 8.155 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.558 7.071 7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.211 8.256 8.875 1.00 0.00 H new ATOM 543 N ALA A 32 -3.896 3.170 6.311 1.00 0.00 N ATOM 544 CA ALA A 32 -5.012 2.271 6.571 1.00 0.00 C ATOM 545 C ALA A 32 -4.544 1.011 7.284 1.00 0.00 C ATOM 546 O ALA A 32 -5.357 0.212 7.754 1.00 0.00 O ATOM 547 CB ALA A 32 -5.709 1.908 5.273 1.00 0.00 C ATOM 0 H ALA A 32 -3.287 2.884 5.544 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.718 2.788 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.541 1.236 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.085 2.813 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.002 1.414 4.606 1.00 0.00 H new ATOM 553 N LYS A 33 -3.224 0.845 7.353 1.00 0.00 N ATOM 554 CA LYS A 33 -2.598 -0.335 7.945 1.00 0.00 C ATOM 555 C LYS A 33 -2.957 -1.586 7.151 1.00 0.00 C ATOM 556 O LYS A 33 -2.963 -2.699 7.685 1.00 0.00 O ATOM 557 CB LYS A 33 -3.000 -0.508 9.416 1.00 0.00 C ATOM 558 CG LYS A 33 -2.765 0.727 10.273 1.00 0.00 C ATOM 559 CD LYS A 33 -2.781 0.385 11.758 1.00 0.00 C ATOM 560 CE LYS A 33 -4.065 -0.320 12.176 1.00 0.00 C ATOM 561 NZ LYS A 33 -4.002 -0.814 13.580 1.00 0.00 N ATOM 0 H LYS A 33 -2.556 1.529 6.998 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.519 -0.188 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.056 -0.775 9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.441 -1.342 9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.807 1.176 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.533 1.470 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.927 -0.252 11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.665 1.299 12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.905 0.366 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.252 -1.158 11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.896 -1.287 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.217 -1.489 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.849 -0.012 14.224 1.00 0.00 H new ATOM 575 N LEU A 34 -3.230 -1.400 5.867 1.00 0.00 N ATOM 576 CA LEU A 34 -3.613 -2.504 5.001 1.00 0.00 C ATOM 577 C LEU A 34 -2.634 -2.641 3.843 1.00 0.00 C ATOM 578 O LEU A 34 -1.760 -1.795 3.650 1.00 0.00 O ATOM 579 CB LEU A 34 -5.026 -2.291 4.444 1.00 0.00 C ATOM 580 CG LEU A 34 -6.124 -2.043 5.485 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.446 -1.733 4.799 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.273 -3.245 6.406 1.00 0.00 C ATOM 0 H LEU A 34 -3.193 -0.493 5.402 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.596 -3.416 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.002 -1.443 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.300 -3.167 3.856 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.835 -1.182 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.215 -1.560 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.335 -0.842 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.737 -2.575 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.057 -3.048 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.538 -4.124 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.331 -3.425 6.924 1.00 0.00 H new ATOM 594 N ALA A 35 -2.801 -3.697 3.068 1.00 0.00 N ATOM 595 CA ALA A 35 -1.964 -3.939 1.903 1.00 0.00 C ATOM 596 C ALA A 35 -2.776 -4.569 0.783 1.00 0.00 C ATOM 597 O ALA A 35 -3.744 -5.289 1.038 1.00 0.00 O ATOM 598 CB ALA A 35 -0.783 -4.824 2.263 1.00 0.00 C ATOM 0 H ALA A 35 -3.515 -4.408 3.225 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.581 -2.980 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.171 -4.992 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.183 -4.336 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.146 -5.780 2.639 1.00 0.00 H new ATOM 604 N TYR A 36 -2.384 -4.300 -0.451 1.00 0.00 N ATOM 605 CA TYR A 36 -3.091 -4.831 -1.604 1.00 0.00 C ATOM 606 C TYR A 36 -2.136 -5.594 -2.517 1.00 0.00 C ATOM 607 O TYR A 36 -0.973 -5.214 -2.667 1.00 0.00 O ATOM 608 CB TYR A 36 -3.767 -3.695 -2.378 1.00 0.00 C ATOM 609 CG TYR A 36 -4.791 -2.931 -1.563 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.026 -3.492 -1.261 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.519 -1.652 -1.091 1.00 0.00 C ATOM 612 CE1 TYR A 36 -6.962 -2.801 -0.515 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.450 -0.955 -0.345 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.668 -1.533 -0.057 1.00 0.00 C ATOM 615 OH TYR A 36 -7.600 -0.837 0.682 1.00 0.00 O ATOM 0 H TYR A 36 -1.579 -3.717 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.856 -5.523 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.003 -3.001 -2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.253 -4.108 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.258 -4.485 -1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.565 -1.196 -1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.918 -3.251 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.224 0.039 0.011 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.235 0.039 0.927 1.00 0.00 H new ATOM 625 N PRO A 37 -2.612 -6.690 -3.129 1.00 0.00 N ATOM 626 CA PRO A 37 -1.804 -7.525 -4.015 1.00 0.00 C ATOM 627 C PRO A 37 -1.663 -6.953 -5.426 1.00 0.00 C ATOM 628 O PRO A 37 -2.627 -6.469 -6.025 1.00 0.00 O ATOM 629 CB PRO A 37 -2.573 -8.858 -4.062 1.00 0.00 C ATOM 630 CG PRO A 37 -3.721 -8.705 -3.116 1.00 0.00 C ATOM 631 CD PRO A 37 -3.963 -7.232 -2.987 1.00 0.00 C ATOM 0 HA PRO A 37 -0.782 -7.610 -3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.925 -9.070 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.932 -9.689 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.608 -9.213 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.489 -9.148 -2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.636 -6.860 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.408 -6.974 -2.026 1.00 0.00 H new ATOM 639 N ILE A 38 -0.448 -7.012 -5.940 1.00 0.00 N ATOM 640 CA ILE A 38 -0.145 -6.615 -7.308 1.00 0.00 C ATOM 641 C ILE A 38 0.396 -7.815 -8.079 1.00 0.00 C ATOM 642 O ILE A 38 1.048 -8.677 -7.502 1.00 0.00 O ATOM 643 CB ILE A 38 0.893 -5.459 -7.328 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.212 -4.136 -6.990 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.613 -5.360 -8.670 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.591 -3.553 -8.134 1.00 0.00 C ATOM 0 H ILE A 38 0.365 -7.339 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.061 -6.261 -7.781 1.00 0.00 H new ATOM 0 HB ILE A 38 1.646 -5.679 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.447 -4.285 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.971 -3.415 -6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.329 -4.539 -8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.139 -6.293 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.885 -5.177 -9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.045 -2.614 -7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.066 -3.371 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.373 -4.255 -8.424 1.00 0.00 H new ATOM 658 N LYS A 39 0.089 -7.902 -9.361 1.00 0.00 N ATOM 659 CA LYS A 39 0.702 -8.915 -10.196 1.00 0.00 C ATOM 660 C LYS A 39 1.155 -8.301 -11.510 1.00 0.00 C ATOM 661 O LYS A 39 0.388 -8.224 -12.474 1.00 0.00 O ATOM 662 CB LYS A 39 -0.247 -10.091 -10.431 1.00 0.00 C ATOM 663 CG LYS A 39 0.431 -11.274 -11.094 1.00 0.00 C ATOM 664 CD LYS A 39 -0.452 -12.508 -11.080 1.00 0.00 C ATOM 665 CE LYS A 39 0.262 -13.706 -11.687 1.00 0.00 C ATOM 666 NZ LYS A 39 -0.514 -14.959 -11.510 1.00 0.00 N ATOM 0 H LYS A 39 -0.573 -7.291 -9.840 1.00 0.00 H new ATOM 0 HA LYS A 39 1.577 -9.307 -9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.668 -10.408 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.079 -9.761 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.683 -11.019 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.368 -11.491 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.744 -12.737 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.368 -12.308 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.429 -13.529 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.243 -13.817 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.006 -15.752 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.652 -15.141 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.440 -14.862 -11.973 1.00 0.00 H new ATOM 680 N ASP A 40 2.396 -7.814 -11.507 1.00 0.00 N ATOM 681 CA ASP A 40 3.020 -7.210 -12.682 1.00 0.00 C ATOM 682 C ASP A 40 2.172 -6.065 -13.235 1.00 0.00 C ATOM 683 O ASP A 40 1.752 -6.076 -14.394 1.00 0.00 O ATOM 684 CB ASP A 40 3.275 -8.271 -13.758 1.00 0.00 C ATOM 685 CG ASP A 40 4.152 -7.761 -14.886 1.00 0.00 C ATOM 686 OD1 ASP A 40 5.333 -7.448 -14.632 1.00 0.00 O ATOM 687 OD2 ASP A 40 3.675 -7.705 -16.041 1.00 0.00 O ATOM 0 H ASP A 40 2.999 -7.828 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 40 3.979 -6.791 -12.377 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.747 -9.140 -13.301 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.321 -8.605 -14.167 1.00 0.00 H new ATOM 692 N GLY A 41 1.888 -5.092 -12.377 1.00 0.00 N ATOM 693 CA GLY A 41 1.180 -3.898 -12.808 1.00 0.00 C ATOM 694 C GLY A 41 -0.327 -4.075 -12.823 1.00 0.00 C ATOM 695 O GLY A 41 -1.064 -3.147 -13.145 1.00 0.00 O ATOM 0 H GLY A 41 2.136 -5.108 -11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.437 -3.071 -12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.518 -3.623 -13.807 1.00 0.00 H new ATOM 699 N ILE A 42 -0.779 -5.270 -12.474 1.00 0.00 N ATOM 700 CA ILE A 42 -2.200 -5.593 -12.458 1.00 0.00 C ATOM 701 C ILE A 42 -2.709 -5.707 -11.020 1.00 0.00 C ATOM 702 O ILE A 42 -2.581 -6.760 -10.393 1.00 0.00 O ATOM 703 CB ILE A 42 -2.500 -6.899 -13.226 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.966 -6.810 -14.664 1.00 0.00 C ATOM 705 CG2 ILE A 42 -3.997 -7.191 -13.228 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.574 -5.686 -15.475 1.00 0.00 C ATOM 0 H ILE A 42 -0.174 -6.042 -12.194 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.722 -4.779 -12.961 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.993 -7.720 -12.719 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.884 -6.678 -14.632 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.157 -7.756 -15.171 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.187 -8.115 -13.774 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.348 -7.297 -12.202 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.527 -6.370 -13.710 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.147 -5.689 -16.478 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.653 -5.826 -15.540 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.361 -4.732 -14.992 1.00 0.00 H new ATOM 718 N PRO A 43 -3.204 -4.593 -10.451 1.00 0.00 N ATOM 719 CA PRO A 43 -3.695 -4.554 -9.068 1.00 0.00 C ATOM 720 C PRO A 43 -4.825 -5.548 -8.824 1.00 0.00 C ATOM 721 O PRO A 43 -5.963 -5.335 -9.251 1.00 0.00 O ATOM 722 CB PRO A 43 -4.207 -3.122 -8.896 1.00 0.00 C ATOM 723 CG PRO A 43 -3.527 -2.341 -9.963 1.00 0.00 C ATOM 724 CD PRO A 43 -3.349 -3.289 -11.114 1.00 0.00 C ATOM 0 HA PRO A 43 -2.912 -4.826 -8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.291 -3.075 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.966 -2.733 -7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.124 -1.478 -10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.566 -1.961 -9.617 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.206 -3.272 -11.787 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.471 -3.040 -11.710 1.00 0.00 H new ATOM 732 N TYR A 44 -4.505 -6.628 -8.133 1.00 0.00 N ATOM 733 CA TYR A 44 -5.481 -7.661 -7.827 1.00 0.00 C ATOM 734 C TYR A 44 -6.046 -7.410 -6.433 1.00 0.00 C ATOM 735 O TYR A 44 -5.807 -8.170 -5.495 1.00 0.00 O ATOM 736 CB TYR A 44 -4.828 -9.046 -7.913 1.00 0.00 C ATOM 737 CG TYR A 44 -5.744 -10.128 -8.448 1.00 0.00 C ATOM 738 CD1 TYR A 44 -5.986 -10.241 -9.814 1.00 0.00 C ATOM 739 CD2 TYR A 44 -6.357 -11.044 -7.598 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.811 -11.232 -10.316 1.00 0.00 C ATOM 741 CE2 TYR A 44 -7.184 -12.038 -8.096 1.00 0.00 C ATOM 742 CZ TYR A 44 -7.406 -12.125 -9.454 1.00 0.00 C ATOM 743 OH TYR A 44 -8.222 -13.116 -9.953 1.00 0.00 O ATOM 0 H TYR A 44 -3.570 -6.814 -7.771 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.294 -7.630 -8.552 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.947 -8.982 -8.552 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.482 -9.335 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.521 -9.543 -10.494 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.185 -10.979 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.987 -11.304 -11.379 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.653 -12.741 -7.424 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.562 -13.663 -9.214 1.00 0.00 H new ATOM 753 N MET A 45 -6.788 -6.321 -6.310 1.00 0.00 N ATOM 754 CA MET A 45 -7.248 -5.839 -5.025 1.00 0.00 C ATOM 755 C MET A 45 -8.573 -6.474 -4.653 1.00 0.00 C ATOM 756 O MET A 45 -9.643 -5.949 -4.962 1.00 0.00 O ATOM 757 CB MET A 45 -7.380 -4.314 -5.031 1.00 0.00 C ATOM 758 CG MET A 45 -6.069 -3.588 -5.285 1.00 0.00 C ATOM 759 SD MET A 45 -6.258 -1.797 -5.255 1.00 0.00 S ATOM 760 CE MET A 45 -4.583 -1.272 -5.607 1.00 0.00 C ATOM 0 H MET A 45 -7.086 -5.749 -7.100 1.00 0.00 H new ATOM 0 HA MET A 45 -6.506 -6.121 -4.278 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.100 -4.024 -5.796 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.785 -3.989 -4.072 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.340 -3.886 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.670 -3.892 -6.253 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.241 -0.598 -4.822 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.929 -2.143 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.558 -0.755 -6.566 1.00 0.00 H new ATOM 770 N LEU A 46 -8.487 -7.627 -4.026 1.00 0.00 N ATOM 771 CA LEU A 46 -9.656 -8.291 -3.493 1.00 0.00 C ATOM 772 C LEU A 46 -9.853 -7.860 -2.052 1.00 0.00 C ATOM 773 O LEU A 46 -8.913 -7.887 -1.262 1.00 0.00 O ATOM 774 CB LEU A 46 -9.494 -9.809 -3.584 1.00 0.00 C ATOM 775 CG LEU A 46 -9.376 -10.365 -5.003 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.213 -11.873 -4.971 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.588 -9.979 -5.832 1.00 0.00 C ATOM 0 H LEU A 46 -7.612 -8.127 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.533 -8.012 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.606 -10.098 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.347 -10.280 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.491 -9.932 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.131 -12.252 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.312 -12.130 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.079 -12.322 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.484 -10.384 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.489 -10.382 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.662 -8.893 -5.884 1.00 0.00 H new ATOM 789 N GLU A 47 -11.065 -7.454 -1.721 1.00 0.00 N ATOM 790 CA GLU A 47 -11.361 -6.904 -0.406 1.00 0.00 C ATOM 791 C GLU A 47 -11.075 -7.904 0.709 1.00 0.00 C ATOM 792 O GLU A 47 -10.623 -7.524 1.787 1.00 0.00 O ATOM 793 CB GLU A 47 -12.817 -6.455 -0.353 1.00 0.00 C ATOM 794 CG GLU A 47 -13.111 -5.287 -1.273 1.00 0.00 C ATOM 795 CD GLU A 47 -14.588 -5.102 -1.524 1.00 0.00 C ATOM 796 OE1 GLU A 47 -15.273 -4.493 -0.675 1.00 0.00 O ATOM 797 OE2 GLU A 47 -15.071 -5.578 -2.574 1.00 0.00 O ATOM 0 H GLU A 47 -11.868 -7.494 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.707 -6.047 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.460 -7.293 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.068 -6.176 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.703 -4.375 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.601 -5.441 -2.224 1.00 0.00 H new ATOM 804 N ASN A 48 -11.331 -9.178 0.452 1.00 0.00 N ATOM 805 CA ASN A 48 -11.117 -10.204 1.466 1.00 0.00 C ATOM 806 C ASN A 48 -9.688 -10.736 1.425 1.00 0.00 C ATOM 807 O ASN A 48 -9.104 -11.056 2.460 1.00 0.00 O ATOM 808 CB ASN A 48 -12.115 -11.355 1.292 1.00 0.00 C ATOM 809 CG ASN A 48 -11.980 -12.411 2.375 1.00 0.00 C ATOM 810 OD1 ASN A 48 -12.588 -12.304 3.439 1.00 0.00 O ATOM 811 ND2 ASN A 48 -11.195 -13.444 2.106 1.00 0.00 N ATOM 0 H ASN A 48 -11.684 -9.525 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.279 -9.743 2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.129 -10.957 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.964 -11.818 0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.078 -14.188 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.708 -13.495 1.211 1.00 0.00 H new ATOM 818 N GLU A 49 -9.121 -10.807 0.232 1.00 0.00 N ATOM 819 CA GLU A 49 -7.789 -11.383 0.063 1.00 0.00 C ATOM 820 C GLU A 49 -6.691 -10.326 0.149 1.00 0.00 C ATOM 821 O GLU A 49 -5.508 -10.636 -0.021 1.00 0.00 O ATOM 822 CB GLU A 49 -7.686 -12.164 -1.245 1.00 0.00 C ATOM 823 CG GLU A 49 -8.463 -13.470 -1.218 1.00 0.00 C ATOM 824 CD GLU A 49 -8.010 -14.446 -2.284 1.00 0.00 C ATOM 825 OE1 GLU A 49 -6.886 -14.980 -2.169 1.00 0.00 O ATOM 826 OE2 GLU A 49 -8.784 -14.711 -3.227 1.00 0.00 O ATOM 0 H GLU A 49 -9.555 -10.477 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.638 -12.077 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.055 -11.544 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.637 -12.375 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.352 -13.933 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.524 -13.259 -1.353 1.00 0.00 H new ATOM 833 N ALA A 50 -7.083 -9.079 0.380 1.00 0.00 N ATOM 834 CA ALA A 50 -6.139 -8.042 0.787 1.00 0.00 C ATOM 835 C ALA A 50 -5.343 -8.499 2.014 1.00 0.00 C ATOM 836 O ALA A 50 -5.769 -9.398 2.746 1.00 0.00 O ATOM 837 CB ALA A 50 -6.870 -6.738 1.083 1.00 0.00 C ATOM 0 H ALA A 50 -8.048 -8.760 0.293 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.444 -7.867 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.150 -5.978 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.396 -6.405 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.587 -6.898 1.888 1.00 0.00 H new ATOM 843 N ARG A 51 -4.199 -7.878 2.242 1.00 0.00 N ATOM 844 CA ARG A 51 -3.279 -8.321 3.275 1.00 0.00 C ATOM 845 C ARG A 51 -3.087 -7.269 4.367 1.00 0.00 C ATOM 846 O ARG A 51 -2.187 -6.446 4.279 1.00 0.00 O ATOM 847 CB ARG A 51 -1.937 -8.666 2.636 1.00 0.00 C ATOM 848 CG ARG A 51 -1.965 -9.949 1.824 1.00 0.00 C ATOM 849 CD ARG A 51 -0.767 -10.066 0.891 1.00 0.00 C ATOM 850 NE ARG A 51 0.516 -9.942 1.587 1.00 0.00 N ATOM 851 CZ ARG A 51 1.226 -10.971 2.045 1.00 0.00 C ATOM 852 NH1 ARG A 51 0.743 -12.207 1.985 1.00 0.00 N ATOM 853 NH2 ARG A 51 2.424 -10.752 2.573 1.00 0.00 N ATOM 0 H ARG A 51 -3.883 -7.060 1.721 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.706 -9.203 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.629 -7.844 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.184 -8.757 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.982 -10.804 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.884 -9.987 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.805 -11.028 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.834 -9.294 0.124 1.00 0.00 H new ATOM 0 HE ARG A 51 0.891 -9.004 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.180 -12.375 1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.295 -12.988 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.793 -9.802 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.976 -11.533 2.927 1.00 0.00 H new ATOM 867 N PRO A 52 -3.948 -7.249 5.393 1.00 0.00 N ATOM 868 CA PRO A 52 -3.771 -6.343 6.527 1.00 0.00 C ATOM 869 C PRO A 52 -2.517 -6.698 7.321 1.00 0.00 C ATOM 870 O PRO A 52 -2.190 -7.877 7.483 1.00 0.00 O ATOM 871 CB PRO A 52 -5.027 -6.562 7.382 1.00 0.00 C ATOM 872 CG PRO A 52 -5.984 -7.293 6.500 1.00 0.00 C ATOM 873 CD PRO A 52 -5.144 -8.086 5.541 1.00 0.00 C ATOM 0 HA PRO A 52 -3.649 -5.307 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.797 -7.140 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.446 -5.613 7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.631 -7.947 7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.632 -6.597 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.902 -9.073 5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.652 -8.239 4.589 1.00 0.00 H new ATOM 881 N LEU A 53 -1.831 -5.685 7.826 1.00 0.00 N ATOM 882 CA LEU A 53 -0.589 -5.877 8.531 1.00 0.00 C ATOM 883 C LEU A 53 -0.853 -6.262 9.970 1.00 0.00 C ATOM 884 O LEU A 53 -1.978 -6.150 10.462 1.00 0.00 O ATOM 885 CB LEU A 53 0.238 -4.593 8.495 1.00 0.00 C ATOM 886 CG LEU A 53 0.844 -4.217 7.141 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.212 -3.695 6.184 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.942 -3.188 7.329 1.00 0.00 C ATOM 0 H LEU A 53 -2.125 -4.711 7.755 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.037 -6.679 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.393 -3.769 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.048 -4.687 9.219 1.00 0.00 H new ATOM 0 HG LEU A 53 1.271 -5.119 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.254 -3.438 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.968 -4.464 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.682 -2.808 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.366 -2.928 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.527 -2.294 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.723 -3.601 7.967 1.00 0.00 H new ATOM 900 N SER A 54 0.175 -6.717 10.649 1.00 0.00 N ATOM 901 CA SER A 54 0.050 -7.019 12.053 1.00 0.00 C ATOM 902 C SER A 54 0.653 -5.899 12.889 1.00 0.00 C ATOM 903 O SER A 54 1.434 -5.090 12.385 1.00 0.00 O ATOM 904 CB SER A 54 0.709 -8.359 12.374 1.00 0.00 C ATOM 905 OG SER A 54 1.952 -8.481 11.705 1.00 0.00 O ATOM 0 H SER A 54 1.100 -6.885 10.254 1.00 0.00 H new ATOM 0 HA SER A 54 -1.008 -7.098 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.860 -8.447 13.450 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.049 -9.174 12.077 1.00 0.00 H new ATOM 0 HG SER A 54 2.359 -9.345 11.925 1.00 0.00 H new ATOM 911 N GLU A 55 0.294 -5.874 14.163 1.00 0.00 N ATOM 912 CA GLU A 55 0.698 -4.833 15.082 1.00 0.00 C ATOM 913 C GLU A 55 2.212 -4.682 15.141 1.00 0.00 C ATOM 914 O GLU A 55 2.739 -3.579 15.051 1.00 0.00 O ATOM 915 CB GLU A 55 0.165 -5.197 16.453 1.00 0.00 C ATOM 916 CG GLU A 55 -1.345 -5.053 16.593 1.00 0.00 C ATOM 917 CD GLU A 55 -1.820 -3.620 16.449 1.00 0.00 C ATOM 918 OE1 GLU A 55 -1.835 -2.892 17.467 1.00 0.00 O ATOM 919 OE2 GLU A 55 -2.197 -3.222 15.328 1.00 0.00 O ATOM 0 H GLU A 55 -0.295 -6.589 14.589 1.00 0.00 H new ATOM 0 HA GLU A 55 0.296 -3.879 14.741 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.443 -6.227 16.677 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.650 -4.566 17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.835 -5.670 15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.652 -5.436 17.566 1.00 0.00 H new ATOM 926 N GLU A 56 2.896 -5.804 15.294 1.00 0.00 N ATOM 927 CA GLU A 56 4.347 -5.837 15.368 1.00 0.00 C ATOM 928 C GLU A 56 4.977 -5.232 14.113 1.00 0.00 C ATOM 929 O GLU A 56 5.951 -4.481 14.197 1.00 0.00 O ATOM 930 CB GLU A 56 4.786 -7.282 15.552 1.00 0.00 C ATOM 931 CG GLU A 56 5.593 -7.539 16.816 1.00 0.00 C ATOM 932 CD GLU A 56 6.966 -6.900 16.801 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.855 -7.413 16.088 1.00 0.00 O ATOM 934 OE2 GLU A 56 7.177 -5.903 17.525 1.00 0.00 O ATOM 0 H GLU A 56 2.458 -6.722 15.371 1.00 0.00 H new ATOM 0 HA GLU A 56 4.683 -5.238 16.214 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.901 -7.919 15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.381 -7.581 14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.036 -7.164 17.675 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.704 -8.615 16.954 1.00 0.00 H new ATOM 941 N GLU A 57 4.412 -5.557 12.953 1.00 0.00 N ATOM 942 CA GLU A 57 4.840 -4.975 11.691 1.00 0.00 C ATOM 943 C GLU A 57 4.577 -3.479 11.670 1.00 0.00 C ATOM 944 O GLU A 57 5.458 -2.685 11.358 1.00 0.00 O ATOM 945 CB GLU A 57 4.089 -5.641 10.556 1.00 0.00 C ATOM 946 CG GLU A 57 4.513 -7.072 10.323 1.00 0.00 C ATOM 947 CD GLU A 57 5.799 -7.195 9.532 1.00 0.00 C ATOM 948 OE1 GLU A 57 6.760 -6.455 9.823 1.00 0.00 O ATOM 949 OE2 GLU A 57 5.856 -8.041 8.615 1.00 0.00 O ATOM 0 H GLU A 57 3.649 -6.228 12.865 1.00 0.00 H new ATOM 0 HA GLU A 57 5.912 -5.136 11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.021 -5.615 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.244 -5.069 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.638 -7.568 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.718 -7.598 9.794 1.00 0.00 H new ATOM 956 N LEU A 58 3.347 -3.121 12.008 1.00 0.00 N ATOM 957 CA LEU A 58 2.915 -1.730 12.086 1.00 0.00 C ATOM 958 C LEU A 58 3.842 -0.906 12.976 1.00 0.00 C ATOM 959 O LEU A 58 4.219 0.221 12.638 1.00 0.00 O ATOM 960 CB LEU A 58 1.492 -1.688 12.628 1.00 0.00 C ATOM 961 CG LEU A 58 0.455 -2.355 11.730 1.00 0.00 C ATOM 962 CD1 LEU A 58 -0.866 -2.513 12.462 1.00 0.00 C ATOM 963 CD2 LEU A 58 0.272 -1.552 10.453 1.00 0.00 C ATOM 0 H LEU A 58 2.614 -3.792 12.238 1.00 0.00 H new ATOM 0 HA LEU A 58 2.950 -1.294 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.474 -2.172 13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.206 -0.648 12.782 1.00 0.00 H new ATOM 0 HG LEU A 58 0.813 -3.349 11.464 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.592 -2.991 11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.719 -3.130 13.349 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.237 -1.532 12.760 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.471 -2.038 9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.066 -0.546 10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.221 -1.495 9.920 1.00 0.00 H new ATOM 975 N LYS A 59 4.186 -1.475 14.119 1.00 0.00 N ATOM 976 CA LYS A 59 5.105 -0.863 15.048 1.00 0.00 C ATOM 977 C LYS A 59 6.466 -0.633 14.400 1.00 0.00 C ATOM 978 O LYS A 59 7.029 0.462 14.464 1.00 0.00 O ATOM 979 CB LYS A 59 5.219 -1.781 16.261 1.00 0.00 C ATOM 980 CG LYS A 59 5.920 -1.176 17.455 1.00 0.00 C ATOM 981 CD LYS A 59 7.419 -1.418 17.411 1.00 0.00 C ATOM 982 CE LYS A 59 8.095 -0.981 18.699 1.00 0.00 C ATOM 983 NZ LYS A 59 9.545 -1.307 18.701 1.00 0.00 N ATOM 0 H LYS A 59 3.830 -2.380 14.425 1.00 0.00 H new ATOM 0 HA LYS A 59 4.735 0.116 15.354 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.217 -2.086 16.563 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.752 -2.685 15.965 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.726 -0.104 17.486 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.510 -1.601 18.371 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.612 -2.477 17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.851 -0.875 16.570 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.964 0.093 18.832 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.612 -1.468 19.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.970 -0.993 19.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.670 -2.335 18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.011 -0.822 17.908 1.00 0.00 H new ATOM 997 N ALA A 60 6.965 -1.659 13.745 1.00 0.00 N ATOM 998 CA ALA A 60 8.305 -1.638 13.178 1.00 0.00 C ATOM 999 C ALA A 60 8.285 -1.338 11.683 1.00 0.00 C ATOM 1000 O ALA A 60 8.880 -2.062 10.883 1.00 0.00 O ATOM 1001 CB ALA A 60 8.996 -2.963 13.440 1.00 0.00 C ATOM 0 H ALA A 60 6.459 -2.531 13.588 1.00 0.00 H new ATOM 0 HA ALA A 60 8.861 -0.836 13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.999 -2.941 13.013 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.063 -3.132 14.515 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.424 -3.769 12.981 1.00 0.00 H new ATOM 1007 N LEU A 61 7.612 -0.262 11.313 1.00 0.00 N ATOM 1008 CA LEU A 61 7.578 0.175 9.920 1.00 0.00 C ATOM 1009 C LEU A 61 8.758 1.087 9.605 1.00 0.00 C ATOM 1010 O LEU A 61 8.728 1.857 8.643 1.00 0.00 O ATOM 1011 CB LEU A 61 6.262 0.882 9.607 1.00 0.00 C ATOM 1012 CG LEU A 61 5.035 -0.032 9.558 1.00 0.00 C ATOM 1013 CD1 LEU A 61 3.774 0.769 9.308 1.00 0.00 C ATOM 1014 CD2 LEU A 61 5.205 -1.102 8.491 1.00 0.00 C ATOM 0 H LEU A 61 7.081 0.327 11.954 1.00 0.00 H new ATOM 0 HA LEU A 61 7.653 -0.711 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.093 1.653 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.358 1.389 8.647 1.00 0.00 H new ATOM 0 HG LEU A 61 4.941 -0.522 10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.916 0.097 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.639 1.494 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.859 1.293 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.322 -1.741 8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.330 -0.628 7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.084 -1.705 8.717 1.00 0.00 H new ATOM 1026 N GLU A 62 9.796 0.967 10.421 1.00 0.00 N ATOM 1027 CA GLU A 62 11.038 1.710 10.256 1.00 0.00 C ATOM 1028 C GLU A 62 10.832 3.228 10.283 1.00 0.00 C ATOM 1029 O GLU A 62 9.736 3.723 10.575 1.00 0.00 O ATOM 1030 CB GLU A 62 11.735 1.291 8.960 1.00 0.00 C ATOM 1031 CG GLU A 62 12.267 -0.135 8.987 1.00 0.00 C ATOM 1032 CD GLU A 62 13.304 -0.345 10.071 1.00 0.00 C ATOM 1033 OE1 GLU A 62 14.432 0.170 9.927 1.00 0.00 O ATOM 1034 OE2 GLU A 62 12.996 -1.016 11.077 1.00 0.00 O ATOM 0 H GLU A 62 9.799 0.342 11.227 1.00 0.00 H new ATOM 0 HA GLU A 62 11.671 1.464 11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.034 1.393 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.561 1.974 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.438 -0.826 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.705 -0.375 8.018 1.00 0.00 H new ATOM 1041 N HIS A 63 11.920 3.953 10.005 1.00 0.00 N ATOM 1042 CA HIS A 63 11.930 5.415 9.968 1.00 0.00 C ATOM 1043 C HIS A 63 11.645 5.995 11.352 1.00 0.00 C ATOM 1044 O HIS A 63 12.571 6.294 12.106 1.00 0.00 O ATOM 1045 CB HIS A 63 10.923 5.954 8.937 1.00 0.00 C ATOM 1046 CG HIS A 63 11.135 7.397 8.566 1.00 0.00 C ATOM 1047 ND1 HIS A 63 10.949 7.879 7.288 1.00 0.00 N ATOM 1048 CD2 HIS A 63 11.512 8.464 9.313 1.00 0.00 C ATOM 1049 CE1 HIS A 63 11.210 9.174 7.265 1.00 0.00 C ATOM 1050 NE2 HIS A 63 11.552 9.552 8.481 1.00 0.00 N ATOM 0 H HIS A 63 12.827 3.535 9.797 1.00 0.00 H new ATOM 0 HA HIS A 63 12.927 5.732 9.661 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.983 5.346 8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.915 5.837 9.334 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.739 8.458 10.369 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.153 9.814 6.397 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.805 10.501 8.758 1.00 0.00 H new ATOM 1059 N HIS A 64 10.367 6.126 11.680 1.00 0.00 N ATOM 1060 CA HIS A 64 9.937 6.710 12.942 1.00 0.00 C ATOM 1061 C HIS A 64 8.416 6.663 13.009 1.00 0.00 C ATOM 1062 O HIS A 64 7.751 6.622 11.975 1.00 0.00 O ATOM 1063 CB HIS A 64 10.415 8.168 13.049 1.00 0.00 C ATOM 1064 CG HIS A 64 10.736 8.619 14.446 1.00 0.00 C ATOM 1065 ND1 HIS A 64 11.936 9.195 14.782 1.00 0.00 N ATOM 1066 CD2 HIS A 64 10.007 8.590 15.588 1.00 0.00 C ATOM 1067 CE1 HIS A 64 11.938 9.497 16.064 1.00 0.00 C ATOM 1068 NE2 HIS A 64 10.779 9.141 16.582 1.00 0.00 N ATOM 0 H HIS A 64 9.599 5.830 11.078 1.00 0.00 H new ATOM 0 HA HIS A 64 10.367 6.144 13.768 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.302 8.292 12.428 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.644 8.820 12.638 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.004 8.205 15.697 1.00 0.00 H new ATOM 0 HE1 HIS A 64 12.753 9.959 16.601 1.00 0.00 H new ATOM 0 HE2 HIS A 64 10.502 9.255 17.557 1.00 0.00 H new ATOM 1077 N HIS A 65 7.868 6.645 14.210 1.00 0.00 N ATOM 1078 CA HIS A 65 6.428 6.741 14.379 1.00 0.00 C ATOM 1079 C HIS A 65 6.116 7.934 15.266 1.00 0.00 C ATOM 1080 O HIS A 65 6.651 8.049 16.366 1.00 0.00 O ATOM 1081 CB HIS A 65 5.859 5.456 14.985 1.00 0.00 C ATOM 1082 CG HIS A 65 4.367 5.359 14.875 1.00 0.00 C ATOM 1083 ND1 HIS A 65 3.518 5.569 15.940 1.00 0.00 N ATOM 1084 CD2 HIS A 65 3.574 5.076 13.814 1.00 0.00 C ATOM 1085 CE1 HIS A 65 2.269 5.417 15.539 1.00 0.00 C ATOM 1086 NE2 HIS A 65 2.275 5.121 14.253 1.00 0.00 N ATOM 0 H HIS A 65 8.395 6.565 15.080 1.00 0.00 H new ATOM 0 HA HIS A 65 5.961 6.877 13.404 1.00 0.00 H new ATOM 0 HB2 HIS A 65 6.310 4.597 14.488 1.00 0.00 H new ATOM 0 HB3 HIS A 65 6.143 5.401 16.036 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.903 4.856 12.809 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.391 5.518 16.159 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.449 4.953 13.679 1.00 0.00 H new ATOM 1095 N HIS A 66 5.260 8.819 14.787 1.00 0.00 N ATOM 1096 CA HIS A 66 5.017 10.078 15.474 1.00 0.00 C ATOM 1097 C HIS A 66 4.020 9.907 16.616 1.00 0.00 C ATOM 1098 O HIS A 66 2.909 9.416 16.423 1.00 0.00 O ATOM 1099 CB HIS A 66 4.516 11.143 14.494 1.00 0.00 C ATOM 1100 CG HIS A 66 4.590 12.538 15.042 1.00 0.00 C ATOM 1101 ND1 HIS A 66 3.530 13.171 15.658 1.00 0.00 N ATOM 1102 CD2 HIS A 66 5.617 13.420 15.069 1.00 0.00 C ATOM 1103 CE1 HIS A 66 3.904 14.380 16.038 1.00 0.00 C ATOM 1104 NE2 HIS A 66 5.164 14.554 15.693 1.00 0.00 N ATOM 0 H HIS A 66 4.723 8.692 13.929 1.00 0.00 H new ATOM 0 HA HIS A 66 5.966 10.407 15.898 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.104 11.089 13.578 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.484 10.921 14.224 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.609 13.260 14.673 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.282 15.103 16.545 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.714 15.396 15.863 1.00 0.00 H new ATOM 1113 N HIS A 67 4.448 10.298 17.808 1.00 0.00 N ATOM 1114 CA HIS A 67 3.588 10.328 18.984 1.00 0.00 C ATOM 1115 C HIS A 67 4.198 11.240 20.035 1.00 0.00 C ATOM 1116 O HIS A 67 5.403 11.184 20.287 1.00 0.00 O ATOM 1117 CB HIS A 67 3.389 8.927 19.571 1.00 0.00 C ATOM 1118 CG HIS A 67 2.014 8.364 19.364 1.00 0.00 C ATOM 1119 ND1 HIS A 67 0.860 9.102 19.506 1.00 0.00 N ATOM 1120 CD2 HIS A 67 1.615 7.113 19.045 1.00 0.00 C ATOM 1121 CE1 HIS A 67 -0.185 8.328 19.287 1.00 0.00 C ATOM 1122 NE2 HIS A 67 0.243 7.113 19.001 1.00 0.00 N ATOM 0 H HIS A 67 5.404 10.604 17.988 1.00 0.00 H new ATOM 0 HA HIS A 67 2.612 10.707 18.681 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.118 8.251 19.124 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.599 8.960 20.640 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.259 6.266 18.858 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.219 8.637 19.334 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.346 6.309 18.784 1.00 0.00 H new ATOM 1131 N HIS A 68 3.372 12.078 20.636 1.00 0.00 N ATOM 1132 CA HIS A 68 3.840 13.021 21.639 1.00 0.00 C ATOM 1133 C HIS A 68 2.825 13.128 22.770 1.00 0.00 C ATOM 1134 O HIS A 68 1.824 13.853 22.610 1.00 0.00 O ATOM 1135 CB HIS A 68 4.092 14.396 21.007 1.00 0.00 C ATOM 1136 CG HIS A 68 4.650 15.408 21.964 1.00 0.00 C ATOM 1137 ND1 HIS A 68 3.900 16.435 22.495 1.00 0.00 N ATOM 1138 CD2 HIS A 68 5.897 15.551 22.476 1.00 0.00 C ATOM 1139 CE1 HIS A 68 4.660 17.165 23.288 1.00 0.00 C ATOM 1140 NE2 HIS A 68 5.872 16.651 23.295 1.00 0.00 N ATOM 1141 OXT HIS A 68 3.018 12.460 23.802 1.00 0.00 O ATOM 0 H HIS A 68 2.371 12.125 20.447 1.00 0.00 H new ATOM 0 HA HIS A 68 4.782 12.657 22.050 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.782 14.281 20.171 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.156 14.775 20.597 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.749 14.918 22.277 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.342 18.038 23.839 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.665 17.013 23.825 1.00 0.00 H new TER 1150 HIS A 68